Basic information
- Name:
(2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane
- CAS No.:
98760-08-8
- Molecular Structure:
- Formula:
- C15H21NO3
- Molecular Weight:
- 263.34
- Synonyms:
- Carbamicacid, (1-oxiranyl-2-phenylethyl)-, 1,1-dimethylethyl ester, [R-(R*,S*)]-;Carbamic acid, [(1S)-1-(2R)-oxiranyl-2-phenylethyl]-, 1,1-dimethylethyl ester(9CI);tert-Butyl [(1S)-1-[(2R)-oxiranyl]2-phenylethyl]carbamate;
- Density:
- 1.118 g/cm3
- Boiling Point:
- 398.837 °C at 760 mmHg
- Appearance:
- white crystalline powder
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Chemistry
IUPAC Name: tert-Butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate
Synonyms of (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane (CAS NO.98760-08-8): (2R,3S)-3-(N-Boc-amino)-1-oxirane-4-phenylbutane
CAS NO: 98760-08-8
Molecular Formula: C15H21NO3
Molecular Weight: 263.34
Molecular Structure: 
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 50.86 Å2
Index of Refraction: 1.533
Molar Refractivity: 73.048 cm3
Molar Volume: 235.468 cm3
Surface Tension: 42.455 dyne/cm
Density: 1.118 g/cm3
Flash Point: 195.01 °C
Enthalpy of Vaporization: 64.947 kJ/mol
Boiling Point: 398.837 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Appearance: White Crystalline Powder
SMILES: O=C(OC(C)(C)C)N[C@H]([C@H]1OC1)Cc2ccccc2
InChI: InChI=1/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/m0/s1
InChIKey: NVPOUMXZERMIJK-STQMWFEEBJ
Std. InChI: InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)/t12-,13-/m0/s1
Std. InChIKey: NVPOUMXZERMIJK-STQMWFEESA-N
Product Categories of (2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane (CAS NO.98760-08-8): Chiral Amino Epoxides;chiral;Aromatics Compounds;Aromatics;Chiral Reagents;Heterocycles
Uses
(2R,3S)-3-(tert-Butoxycarbonyl)amino-1,2-epoxy-4-phenylbutane (CAS NO.98760-08-8) is used as atazanavir intermediate.
